8BMP
| Cryo-EM structure of the folate-specific ECF transporter complex in MSP2N2 lipid nanodiscs bound to ATP and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Energy-coupling factor transporter ATP-binding protein EcfA1, ... | Authors: | Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J. | Deposit date: | 2022-11-10 | Release date: | 2023-08-02 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Expulsion mechanism of the substrate-translocating subunit in ECF transporters. Nat Commun, 14, 2023
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3VBF
| Crystal structure of formaldehyde treated human Enterovirus 71 (space group I23) | Descriptor: | ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Genome Polyprotein, ... | Authors: | Wang, X, Peng, W, Ren, J, Hu, Z, Xu, J, Lou, Z, Li, X, Yin, W, Shen, X, Porta, C, Walter, T.S, Evans, G, Axford, D, Owen, R, Rowlands, D.J, Wang, J, Stuart, D.I, Fry, E.E, Rao, Z. | Deposit date: | 2012-01-02 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A sensor-adaptor mechanism for enterovirus uncoating from structures of EV71. Nat.Struct.Mol.Biol., 19, 2012
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8BBZ
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6MUR
| Cryo-EM structure of Csm-crRNA-target RNA ternary complex in type III-A CRISPR-Cas system | Descriptor: | RNA (27-MER), RNA (5'-R(P*GP*CP*AP*AP*AP*CP*CP*GP*CP*CP*UP*CP*UP*GP*CP*CP*CP*GP*C)-3'), Uncharacterized protein, ... | Authors: | Jia, N, Wang, C, Eng, E.T, Patel, D.J. | Deposit date: | 2018-10-23 | Release date: | 2018-12-12 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Type III-A CRISPR-Cas Csm Complexes: Assembly, Periodic RNA Cleavage, DNase Activity Regulation, and Autoimmunity. Mol. Cell, 73, 2019
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6MJW
| human cGAS catalytic domain bound with the inhibitor G150 | Descriptor: | 1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | Deposit date: | 2018-09-23 | Release date: | 2019-05-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.405 Å) | Cite: | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression. Nat Commun, 10, 2019
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8BHU
| Crystal Structure of SilF (Ag(I) form | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SILVER ION, SULFATE ION, ... | Authors: | Lithgo, R.M, Carr, S.B, Quigley, A.M, Scott, D.J. | Deposit date: | 2022-11-01 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of SilF (apo form) To Be Published
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3VBO
| Crystal structure of formaldehyde treated empty human Enterovirus 71 particle (cryo at 100K) | Descriptor: | Genome Polyprotein, capsid protein VP1, capsid protein VP2, ... | Authors: | Wang, X, Peng, W, Ren, J, Hu, Z, Xu, J, Lou, Z, Li, X, Yin, W, Shen, X, Porta, C, Walter, T.S, Evans, G, Axford, D, Owen, R, Rowlands, D.J, Wang, J, Stuart, D.I, Fry, E.E, Rao, Z. | Deposit date: | 2012-01-02 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | A sensor-adaptor mechanism for enterovirus uncoating from structures of EV71. Nat.Struct.Mol.Biol., 19, 2012
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3VN5
| Crystal structure of Aquifex aeolicus RNase H3 | Descriptor: | Ribonuclease HIII | Authors: | Jongruja, N, You, D.J, Eiko, K, Angkawidjaja, C, Koga, Y, Takano, K, Kanaya, S. | Deposit date: | 2011-12-22 | Release date: | 2012-12-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure and characterization of RNase H3 from Aquifex aeolicus Febs J., 279, 2012
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6MRK
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6MXZ
| Structure of 53BP1 Tudor domains in complex with small molecule UNC3474 | Descriptor: | FORMIC ACID, N-[3-(tert-butylamino)propyl]-3-(propan-2-yl)benzamide, TP53-binding protein 1 | Authors: | Cui, G, Botuyan, M.V, Schuller, D.J, Mer, G. | Deposit date: | 2018-10-31 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | An autoinhibited state of 53BP1 revealed by small molecule antagonists and protein engineering. Nat Commun, 14, 2023
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6MJU
| human cGAS catalytic domain bound with the inhibitor G108 | Descriptor: | 1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | Deposit date: | 2018-09-22 | Release date: | 2019-05-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression. Nat Commun, 10, 2019
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6MJX
| human cGAS catalytic domain bound with cGAMP | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION, cGAMP | Authors: | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | Deposit date: | 2018-09-23 | Release date: | 2019-05-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression. Nat Commun, 10, 2019
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3SUX
| Crystal structure of THF riboswitch, bound with THF | Descriptor: | 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID, Riboswitch, SODIUM ION | Authors: | Huang, L, Serganov, A, Patel, D.J. | Deposit date: | 2011-07-11 | Release date: | 2011-09-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Long-range pseudoknot interactions dictate the regulatory response in the tetrahydrofolate riboswitch. Proc.Natl.Acad.Sci.USA, 108, 2011
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3SUY
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6MUU
| Cryo-EM structure of Csm-crRNA binary complex in type III-A CRISPR-Cas system | Descriptor: | RNA (25-MER), Uncharacterized protein Csm1, Uncharacterized protein Csm2, ... | Authors: | Jia, N, Wang, C, Eng, E.T, Patel, D.J. | Deposit date: | 2018-10-23 | Release date: | 2018-12-19 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Type III-A CRISPR-Cas Csm Complexes: Assembly, Periodic RNA Cleavage, DNase Activity Regulation, and Autoimmunity. Mol. Cell, 73, 2019
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8C6D
| Production of antigenically stable enterovirus A71 virus-like particles in Pichia pastoris as a vaccine candidate. | Descriptor: | (2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol, Genome polyprotein, Genome polyprotein (Fragment) | Authors: | Kingston, N.J, Snowden, J.S, Stonehouse, N.J, Rowlands, D.J, Hogle, J.M. | Deposit date: | 2023-01-11 | Release date: | 2023-02-22 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Production of antigenically stable enterovirus A71 virus-like particles in Pichia pastoris as a vaccine candidate. Biorxiv, 2023
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6MVP
| HCV NS5B 1b N316 bound to Compound 18 | Descriptor: | (4-{[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}phenyl)boronic acid, Genome polyprotein | Authors: | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | Deposit date: | 2018-10-26 | Release date: | 2019-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor. J.Med.Chem., 62, 2019
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6MVO
| HCV NS5B 1A Y316 bound to Compound 49 | Descriptor: | 6-[(7-chloro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase, SULFATE ION | Authors: | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | Deposit date: | 2018-10-26 | Release date: | 2019-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor. J.Med.Chem., 62, 2019
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3T9L
| Structure of N-terminal DUSP-UBL domains of human USP15 | Descriptor: | SULFATE ION, Ubiquitin carboxyl-terminal hydrolase 15 | Authors: | Harper, S, Besong, T.M.D, Emsley, J, Scott, D.J, Dreveny, I. | Deposit date: | 2011-08-03 | Release date: | 2011-09-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of the USP15 N-Terminal Domains: A beta-Hairpin Mediates Close Association between the DUSP and UBL Domains Biochemistry, 50, 2011
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3TFH
| DMSP-dependent demethylase from P. ubique - apo | Descriptor: | GLYCEROL, GcvT-like Aminomethyltransferase protein, SODIUM ION | Authors: | Schuller, D.J, Reisch, C.R, Moran, M.A, Whitman, W.B, Lanzilotta, W.N. | Deposit date: | 2011-08-15 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of dimethylsulfoniopropionate-dependent demethylase from the marine organism Pelagabacter ubique. Protein Sci., 21, 2012
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3TFJ
| DMSP-dependent demethylase from P. ubique - with cofactor THF | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, ACETATE ION, GLYCEROL, ... | Authors: | Schuller, D.J, Reisch, C.R, Moran, M.A, Whitman, W.B, Lanzilotta, W.N. | Deposit date: | 2011-08-15 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of dimethylsulfoniopropionate-dependent demethylase from the marine organism Pelagabacter ubique. Protein Sci., 21, 2012
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3TCG
| Crystal structure of E. coli OppA complexed with the tripeptide KGE | Descriptor: | KGE Peptide, Periplasmic oligopeptide-binding protein | Authors: | Klepsch, M.M, Kovermann, M, Low, C, Balbach, J, de Gier, J.W, Slotboom, D.J, Berntsson, R.P.-A. | Deposit date: | 2011-08-09 | Release date: | 2011-10-12 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Escherichia coli peptide binding protein OppA has a preference for positively charged peptides. J.Mol.Biol., 414, 2011
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6MUA
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3TCF
| Crystal structure of E. coli OppA complexed with endogenous ligands | Descriptor: | Endogenous peptide, Periplasmic oligopeptide-binding protein | Authors: | Klepsch, M.M, Kovermann, M, Low, C, Balbach, J, de Gier, J.W, Slotboom, D.J, Berntsson, R.P.-A. | Deposit date: | 2011-08-09 | Release date: | 2011-10-12 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Escherichia coli peptide binding protein OppA has a preference for positively charged peptides. J.Mol.Biol., 414, 2011
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3ULK
| E. coli Ketol-acid reductoisomerase in complex with NADPH and Mg2+ | Descriptor: | Ketol-acid reductoisomerase, MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Wong, S.H, Lonhienne, T.G.A, Winzor, D.J, Schenk, G, Guddat, L.W. | Deposit date: | 2011-11-11 | Release date: | 2012-10-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Bacterial and plant ketol-acid reductoisomerases have different mechanisms of induced fit during the catalytic cycle J.Mol.Biol., 424, 2012
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